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Pierre-Francois Loos 2019-11-02 18:20:32 +01:00
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Manuscript/ExPerspective.bib
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@ -1,7 +1,7 @@
%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2019-11-02 15:06:53 +0100
%% Created for Pierre-Francois Loos at 2019-11-02 18:20:13 +0100
%% Saved with string encoding Unicode (UTF-8)
@ -82,6 +82,16 @@
@string{theo = {J. Mol. Struct. (THEOCHEM)}}
@article{Hir04,
Author = {Hirata, S.},
Date-Added = {2019-11-02 18:19:16 +0100},
Date-Modified = {2019-11-02 18:19:16 +0100},
Journal = JCP,
Pages = {51--59},
Title = {Higher-Order Equation-of-Motion Coupled-Cluster Methods},
Volume = 121,
Year = 2004}
@article{Loo20,
Author = {P. F. Loos and F. Lipparini and M. Boggio-Pasqua and A. Scemama and D. Jacquemin},
Date-Added = {2019-11-01 22:39:34 +0100},

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Manuscript/ExPerspective.tex
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@ -183,10 +183,11 @@ Despite all of this, TD-DFT is still nowadays the most employed excited-state me
%%%%%%%%%%%%%%%%%%
%%% CC METHODS %%%
%%%%%%%%%%%%%%%%%%
Thanks to the development of coupled cluster (CC) response theory, \cite{Koc90} and the huge growth of computer power, equation-of-motion coupled cluster with singles and doubles (EOM-CCSD) \cite{Sta93} became mainstream in the 2000's.
EOM-CCSD gradient were also quickly available. \cite{Sta95}
Its third-order version EOM-CCSDT was also implemented and provides high accuracy at a significant higher cost. \cite{Nog87}
Although extremely expensive and tedious to implement, higher orders are also technically possible for small systems thanks to automatically-generated code. \cite{Kuc91}
Thanks to the development of coupled cluster (CC) response theory, \cite{Koc90} and the huge growth of computational ressources, equation-of-motion coupled cluster with singles and doubles (EOM-CCSD) \cite{Sta93} became mainstream in the 2000's.
EOM-CCSD gradients were also quickly available. \cite{Sta95}
Its third-order version, EOM-CCSDT, was also implemented and provides, at a significant higher cost, high accuracy for single excitations. \cite{Nog87}
Thanks to the introduction of triples, EOM-CCSDT also provides qualitative results for double excitations, a feature that is completely absent from EOM-CCSD. \cite{Loo19c}
Although extremely expensive and tedious to implement, higher orders are also technically possible for small systems thanks to automatically-generated code. \cite{Kuc91, Hir04, }
The EOM-CC family of methods was quickly followed by a slightly computationally lighter family with in front line the second-order CC2 method \cite{Chr95} and its third-order extension CC3 \cite{Chr95b} with formal computational scaling of $N^5$ and $N^7$ compared to $N^6$ and $N^8$ for EOM-CCSD and EOM-CCSDT, respectively.
%%%%%%%%%%%%%%%%%%%